N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide

C20H29N3O3 — CID 55712379

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)CCCc2nc(C(C)C)no2)c1
InChIInChI=1S/C20H29N3O3/c1-14(2)20-21-18(26-22-20)7-6-8-19(24)23(5)9-10-25-17-12-15(3)11-16(4)13-17/h11-14H,6-10H2,1-5H3
InChIKeyZTXVGEAITVXGFB-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.67
Rot. Bonds9

About N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 55712379) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID55712379
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)CCCc2nc(C(C)C)no2)c1
InChIInChI=1S/C20H29N3O3/c1-14(2)20-21-18(26-22-20)7-6-8-19(24)23(5)9-10-25-17-12-15(3)11-16(4)13-17/h11-14H,6-10H2,1-5H3
InChIKeyZTXVGEAITVXGFB-UHFFFAOYSA-N
XLogP3.67
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 55712379) is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is Cc1cc(C)cc(OCCN(C)C(=O)CCCc2nc(C(C)C)no2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is ZTXVGEAITVXGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14(2)20-21-18(26-22-20)7-6-8-19(24)23(5)9-10-25-17-12-15(3)11-16(4)13-17/h11-14H,6-10H2,1-5H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 359.47 g/mol, XLogP of 3.67, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 55712379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).